#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr2 s THR 2 N 0.00 4.98 -0.19 0.00 -4.23 -1.26 -0.53 115.64 114.41 1lr2 s THR 2 Ca 0.00 -0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1lr2 s THR 2 Cb 0.00 -3.21 0.05 0.00 1.34 0.00 0.00 72.50 70.68 1lr2 s THR 2 CO 0.00 0.49 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.17 1lr2 s PHE 3 N -1.09 1.85 -0.29 3.99 0.40 -0.41 -1.22 117.98 121.21 1lr2 s PHE 3 Ca 0.19 -1.27 -0.20 0.00 -0.60 0.00 0.00 56.93 55.06 1lr2 s PHE 3 Cb -0.12 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 1lr2 s PHE 3 CO 0.09 -0.67 0.60 -2.00 0.70 0.00 0.00 175.22 173.94 1lr2 s GLU 4 N 1.58 3.97 -0.27 0.44 2.12 -0.29 -1.11 118.70 125.14 1lr2 s GLU 4 Ca -0.01 0.33 -0.09 0.00 0.36 0.00 0.00 54.97 55.56 1lr2 s GLU 4 Cb -0.16 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 1lr2 s GLU 4 CO -0.07 -0.49 0.13 0.42 -0.54 0.00 0.00 175.26 174.71 1lr2 s ILE 5 N 2.51 4.78 -0.09 -3.70 1.01 0.11 -0.47 121.20 125.33 1lr2 s ILE 5 Ca 0.24 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.86 1lr2 s ILE 5 Cb -0.15 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1lr2 s ILE 5 CO 0.11 0.26 -0.22 -0.69 0.00 0.00 0.00 174.94 174.39 1lr2 s VAL 6 N 1.68 2.26 -0.43 2.92 1.01 0.48 -0.38 120.40 127.92 1lr2 s VAL 6 Ca 0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1lr2 s VAL 6 Cb -0.16 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.43 1lr2 s VAL 6 CO 0.07 0.56 0.31 0.21 0.00 0.00 0.00 175.10 176.25 1lr2 s ASN 7 N 0.18 5.85 0.00 3.32 2.47 -0.35 -0.65 114.94 125.76 1lr2 s ASN 7 Ca -0.13 -1.38 0.24 0.00 0.42 0.00 0.00 52.86 52.01 1lr2 s ASN 7 Cb -0.16 -2.07 0.46 0.00 -1.45 0.00 0.00 41.25 38.03 1lr2 s ASN 7 CO 0.07 -0.56 1.41 -1.14 -3.72 0.00 0.00 177.10 173.16 1lr2 n ARG 8 N 5.04 2.21 -1.70 0.43 0.63 -0.24 0.54 116.66 123.57 1lr2 n ARG 8 Ca -0.11 -1.79 -0.33 0.00 -0.92 0.00 0.00 57.85 54.70 1lr2 n ARG 8 Cb 0.44 -1.47 0.05 0.00 0.45 0.00 0.00 32.46 31.93 1lr2 n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lr2 n SER 10 N -2.48 0.00 -4.45 0.00 3.41 -1.26 -4.28 113.62 104.55 1lr2 n SER 10 Ca 0.11 0.02 -0.26 0.00 -0.26 0.00 0.00 58.87 58.48 1lr2 n SER 10 Cb 0.52 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 1lr2 n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1lr2 s TYR 11 N -2.66 2.32 0.45 7.33 -0.85 -1.26 -4.81 117.35 117.86 1lr2 s TYR 11 Ca 0.23 -0.34 -0.24 0.00 -0.52 0.00 0.00 57.07 56.21 1lr2 s TYR 11 Cb 0.18 -1.09 -0.08 0.00 0.38 0.00 0.00 41.96 41.36 1lr2 s TYR 11 CO 0.44 0.59 1.19 0.99 -1.52 0.00 0.00 175.55 177.23 1lr2 s THR 12 N -2.02 3.01 0.09 -3.49 2.01 -1.26 -4.34 115.64 109.64 1lr2 s THR 12 Ca 0.25 0.79 0.02 0.00 0.31 0.00 0.00 61.69 63.05 1lr2 s THR 12 Cb -0.07 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1lr2 s THR 12 CO 0.12 0.02 -0.07 0.68 -0.69 0.00 0.00 174.62 174.68 1lr2 s VAL 13 N -1.48 0.65 -0.35 3.82 -7.23 -0.70 -4.66 120.40 110.45 1lr2 s VAL 13 Ca 0.62 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1lr2 s VAL 13 Cb -0.30 -1.52 0.08 0.00 0.56 0.00 0.00 36.38 35.20 1lr2 s VAL 13 CO 0.37 -0.81 0.08 0.26 -0.31 0.00 0.00 175.10 174.70 1lr2 s TRP 14 N -3.31 3.45 0.55 2.82 0.51 0.20 -0.28 118.94 122.89 1lr2 s TRP 14 Ca 0.08 -2.23 -0.20 0.00 -2.12 0.00 0.00 56.10 51.63 1lr2 s TRP 14 Cb 0.03 -2.63 -0.05 0.00 -0.81 0.00 0.00 33.47 30.01 1lr2 s TRP 14 CO -0.04 -0.89 1.21 0.00 -0.51 0.00 0.00 176.95 176.72 1lr2 s ALA 15 N 1.16 2.68 0.02 0.98 0.00 0.13 -1.45 121.76 125.28 1lr2 s ALA 15 Ca 0.02 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1lr2 s ALA 15 Cb -0.21 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1lr2 s ALA 15 CO -0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 175.76 174.66 1lr2 s ALA 16 N -1.58 0.23 -0.12 0.00 0.00 -0.29 -1.61 121.76 118.39 1lr2 s ALA 16 Ca 0.73 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1lr2 s ALA 16 Cb -0.30 0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1lr2 s ALA 16 CO 0.34 -0.06 0.25 0.00 0.00 0.00 0.00 175.76 176.29 1lr2 s ALA 17 N -0.91 -0.53 0.15 0.00 0.00 -0.32 -1.69 121.76 118.45 1lr2 s ALA 17 Ca -0.08 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 1lr2 s ALA 17 Cb -0.06 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.21 1lr2 s ALA 17 CO -0.00 -0.50 0.49 0.45 0.00 0.00 0.00 175.76 176.20 1lr2 s SER 18 N 2.04 -0.34 -0.16 0.00 0.15 -0.71 -1.56 113.70 113.13 1lr2 s SER 18 Ca -0.02 -0.26 0.17 0.00 0.70 0.00 0.00 55.95 56.54 1lr2 s SER 18 Cb -0.11 0.54 0.45 0.00 -1.71 0.00 0.00 66.02 65.18 1lr2 s SER 18 CO -0.08 -0.94 1.33 2.29 1.20 0.00 0.00 173.24 177.04 1lr2 n LYS 19 N -0.30 2.39 0.00 5.44 2.85 -0.42 -0.89 118.16 127.22 1lr2 n LYS 19 Ca -0.15 -2.74 0.00 0.00 -1.05 0.00 0.00 58.31 54.37 1lr2 n LYS 19 Cb 0.64 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1lr2 n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1lr2 n GLY 20 N -0.80 2.66 0.23 2.58 0.00 -1.26 -4.61 105.19 103.99 1lr2 n GLY 20 Ca 0.19 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1lr2 n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lr2 n ASP 21 N 1.49 1.65 -3.47 1.61 5.75 -1.26 -4.35 116.55 117.98 1lr2 n ASP 21 Ca 0.00 -1.38 -0.13 0.00 -0.01 0.00 0.00 54.79 53.27 1lr2 n ASP 21 Cb 0.00 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 1lr2 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lr2 s ALA 22 N -0.56 -1.69 0.59 2.12 0.00 -0.95 -4.96 121.76 116.32 1lr2 s ALA 22 Ca 0.07 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1lr2 s ALA 22 Cb 0.05 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1lr2 s ALA 22 CO 0.07 -0.64 1.02 0.00 0.00 0.00 0.00 175.76 176.21 1lr2 s ALA 23 N -2.91 3.02 -0.19 0.00 0.00 -1.25 -1.31 121.76 119.12 1lr2 s ALA 23 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1lr2 s ALA 23 Cb -0.01 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1lr2 s ALA 23 CO -0.06 -0.61 0.00 -0.51 0.00 0.00 0.00 175.76 174.57 1lr2 s LEU 24 N -4.82 3.33 0.00 0.00 1.43 -0.60 -4.75 118.68 113.27 1lr2 s LEU 24 Ca 0.57 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1lr2 s LEU 24 Cb -0.11 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1lr2 s LEU 24 CO 0.46 0.10 0.00 -0.67 0.23 0.00 0.00 176.35 176.47 1lr2 n ASP 25 N 3.98 0.00 0.11 2.29 -0.08 -1.25 -0.83 116.55 120.76 1lr2 n ASP 25 Ca -0.17 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.21 1lr2 n ASP 25 Cb 0.52 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.43 1lr2 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1lr2 n ALA 26 N 7.59 1.44 0.00 -1.67 0.00 -1.26 -4.89 120.51 121.72 1lr2 n ALA 26 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1lr2 n ALA 26 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1lr2 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lr2 n GLY 27 N -0.48 2.75 3.62 0.00 0.00 -0.01 -4.48 105.19 106.59 1lr2 n GLY 27 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1lr2 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lr2 s GLY 28 N -1.05 -0.12 -0.11 -0.02 0.00 -1.26 -1.18 107.32 103.58 1lr2 s GLY 28 Ca 0.00 2.20 -0.30 0.00 0.00 0.00 0.00 44.72 46.62 1lr2 s GLY 28 CO 0.00 0.86 0.88 -1.60 0.00 0.00 0.00 173.10 173.24 1lr2 s ARG 29 N -1.60 0.78 0.22 2.90 3.52 -0.64 -4.57 118.95 119.56 1lr2 s ARG 29 Ca 0.07 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.54 1lr2 s ARG 29 Cb -0.01 0.37 -0.08 0.00 -1.56 0.00 0.00 34.95 33.66 1lr2 s ARG 29 CO -0.05 -0.25 1.06 -1.14 -0.81 0.00 0.00 175.30 174.11 1lr2 s GLN 30 N -1.25 4.67 -0.29 5.12 0.74 -1.26 -0.69 119.66 126.69 1lr2 s GLN 30 Ca -0.05 1.68 0.00 0.00 0.05 0.00 0.00 55.36 57.04 1lr2 s GLN 30 Cb -0.00 -3.26 0.09 0.00 1.10 0.00 0.00 33.01 30.94 1lr2 s GLN 30 CO 0.04 0.22 0.06 -0.51 -0.55 0.00 0.00 175.29 174.55 1lr2 s LEU 31 N -0.86 2.61 0.98 3.68 1.43 0.62 -4.90 118.68 122.23 1lr2 s LEU 31 Ca 0.46 -1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 1lr2 s LEU 31 Cb -0.29 -1.02 0.18 0.00 0.03 0.00 0.00 46.19 45.09 1lr2 s LEU 31 CO 0.36 -0.37 1.09 0.20 0.23 0.00 0.00 176.35 177.86 1lr2 s ASN 32 N 1.49 2.74 -0.02 2.29 0.02 -1.26 -1.73 114.94 118.47 1lr2 s ASN 32 Ca 0.06 1.39 -0.34 0.00 -1.02 0.00 0.00 52.86 52.95 1lr2 s ASN 32 Cb -0.18 -2.07 -0.12 0.00 0.02 0.00 0.00 41.25 38.90 1lr2 s ASN 32 CO -0.17 -3.08 1.80 -0.24 0.02 0.00 0.00 177.10 175.43 1lr2 n SER 33 N -4.17 3.38 0.00 -1.22 2.88 -1.26 -1.56 113.62 111.67 1lr2 n SER 33 Ca 0.06 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1lr2 n SER 33 Cb 0.56 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1lr2 n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lr2 n GLY 34 N 4.15 2.14 3.79 0.46 0.00 0.19 -5.04 105.19 110.87 1lr2 n GLY 34 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1lr2 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lr2 s GLU 35 N -0.72 3.28 -0.03 1.61 2.02 -0.60 -4.71 118.70 119.55 1lr2 s GLU 35 Ca 0.00 1.40 0.05 0.00 0.02 0.00 0.00 54.97 56.44 1lr2 s GLU 35 Cb 0.00 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1lr2 s GLU 35 CO 0.00 -0.86 -0.19 -1.12 0.02 0.00 0.00 175.26 173.11 1lr2 s SER 36 N -2.30 2.28 -0.09 -0.19 0.01 -1.26 -1.21 113.70 110.94 1lr2 s SER 36 Ca 0.68 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 57.57 1lr2 s SER 36 Cb -0.19 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.63 1lr2 s SER 36 CO 0.32 0.20 -0.05 0.86 0.41 0.00 0.00 173.24 174.99 1lr2 s TRP 37 N -0.24 1.11 -0.22 2.43 -0.00 0.48 -4.97 118.94 117.54 1lr2 s TRP 37 Ca 0.02 -0.47 -0.08 0.00 -0.00 0.00 0.00 56.10 55.57 1lr2 s TRP 37 Cb -0.09 -1.01 -0.04 0.00 -0.00 0.00 0.00 33.47 32.33 1lr2 s TRP 37 CO 0.01 -0.40 0.09 0.99 -0.00 0.00 0.00 176.95 177.64 1lr2 s THR 38 N 1.65 4.79 0.31 5.86 2.01 -1.26 0.03 115.64 129.03 1lr2 s THR 38 Ca 0.02 -0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.09 1lr2 s THR 38 Cb -0.13 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1lr2 s THR 38 CO -0.05 0.38 -0.01 0.27 -0.69 0.00 0.00 174.62 174.52 1lr2 s ILE 39 N 0.98 2.85 -0.13 1.82 -4.36 -0.27 -4.95 121.20 117.15 1lr2 s ILE 39 Ca 0.05 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1lr2 s ILE 39 Cb -0.14 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.80 1lr2 s ILE 39 CO 0.03 -0.27 -0.16 0.20 0.24 0.00 0.00 174.94 174.98 1lr2 s ASN 40 N -3.69 3.69 -0.13 4.36 -0.87 -1.26 -1.29 114.94 115.75 1lr2 s ASN 40 Ca 0.34 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 1lr2 s ASN 40 Cb -0.02 -1.55 -0.01 0.00 -0.02 0.00 0.00 41.25 39.65 1lr2 s ASN 40 CO 0.19 0.15 -0.14 -0.69 -2.57 0.00 0.00 177.10 174.04 1lr2 s VAL 41 N 0.43 2.99 0.33 1.60 1.01 0.31 -3.91 120.40 123.16 1lr2 s VAL 41 Ca -0.12 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1lr2 s VAL 41 Cb -0.16 -2.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.86 1lr2 s VAL 41 CO 0.06 0.52 1.49 -0.70 0.00 0.00 0.00 175.10 176.47 1lr2 s GLU 42 N 0.38 4.17 0.72 2.72 2.12 -1.26 -0.79 118.70 126.75 1lr2 s GLU 42 Ca -0.11 2.48 -0.16 0.00 0.36 0.00 0.00 54.97 57.55 1lr2 s GLU 42 Cb -0.16 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1lr2 s GLU 42 CO 0.06 -0.50 0.94 -2.30 -0.54 0.00 0.00 175.26 172.91 1lr2 n PRO 43 N 1.29 0.50 -0.68 4.30 -0.02 -1.26 -2.23 135.00 136.90 1lr2 n PRO 43 Ca 0.04 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1lr2 n PRO 43 Cb 0.39 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1lr2 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lr2 n GLY 44 N 1.14 1.42 3.67 -1.23 0.00 -1.16 -4.98 105.19 104.04 1lr2 n GLY 44 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1lr2 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lr2 s THR 45 N -3.61 2.94 -0.12 2.61 2.01 -0.95 -4.71 115.64 113.82 1lr2 s THR 45 Ca 0.00 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1lr2 s THR 45 Cb 0.00 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1lr2 s THR 45 CO 0.00 -0.01 -0.04 0.21 -0.69 0.00 0.00 174.62 174.10 1lr2 s ASN 46 N 3.92 4.83 -0.84 3.53 2.47 -1.26 -0.18 114.94 127.41 1lr2 s ASN 46 Ca 0.85 -0.06 -0.04 0.00 0.42 0.00 0.00 52.86 54.03 1lr2 s ASN 46 Cb -0.43 -1.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1lr2 s ASN 46 CO 0.39 0.25 0.59 0.61 -3.72 0.00 0.00 177.10 175.22 1lr2 n GLY 47 N 2.96 0.04 3.88 1.21 0.00 -1.15 -4.96 105.19 107.18 1lr2 n GLY 47 Ca -0.18 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1lr2 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lr2 s GLY 48 N -3.07 1.83 -0.02 -0.02 0.00 0.41 -4.53 107.32 101.92 1lr2 s GLY 48 Ca 0.29 -0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 1lr2 s GLY 48 CO 0.36 -0.04 0.16 0.54 0.00 0.00 0.00 173.10 174.12 1lr2 s LYS 49 N -4.15 0.42 -0.01 2.90 1.02 -0.07 -1.40 119.74 118.45 1lr2 s LYS 49 Ca 0.51 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.33 1lr2 s LYS 49 Cb -0.10 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.38 1lr2 s LYS 49 CO 0.36 -0.09 -0.12 0.42 -0.92 0.00 0.00 175.35 175.00 1lr2 s ILE 50 N -0.98 0.94 0.27 2.17 1.01 -0.28 -1.73 121.20 122.60 1lr2 s ILE 50 Ca -0.11 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1lr2 s ILE 50 Cb -0.06 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1lr2 s ILE 50 CO 0.01 0.27 0.56 -1.66 0.00 0.00 0.00 174.94 174.13 1lr2 s TRP 51 N -0.19 0.23 0.08 3.97 -2.14 -0.68 -1.64 118.94 118.58 1lr2 s TRP 51 Ca 0.03 -0.63 0.04 0.00 2.66 0.00 0.00 56.10 58.19 1lr2 s TRP 51 Cb -0.06 0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 1lr2 s TRP 51 CO -0.00 -1.10 0.06 0.00 -2.66 0.00 0.00 176.95 173.25 1lr2 s ALA 52 N -3.85 3.49 0.00 2.67 0.00 -1.26 -1.14 121.76 121.68 1lr2 s ALA 52 Ca 0.19 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1lr2 s ALA 52 Cb -0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 1lr2 s ALA 52 CO 0.09 0.73 -0.21 1.03 0.00 0.00 0.00 175.76 177.40 1lr2 s ARG 53 N -2.39 1.60 0.21 0.00 0.52 -0.53 -4.62 118.95 113.75 1lr2 s ARG 53 Ca 0.28 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 54.79 1lr2 s ARG 53 Cb -0.12 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.70 1lr2 s ARG 53 CO 0.21 0.43 -0.21 0.95 0.02 0.00 0.00 175.30 176.70 1lr2 s THR 54 N -0.60 2.49 -1.15 0.02 -4.23 -1.16 -0.63 115.64 110.38 1lr2 s THR 54 Ca 0.08 -2.07 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1lr2 s THR 54 Cb -0.08 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1lr2 s THR 54 CO 0.00 -0.18 0.78 0.47 -0.54 0.00 0.00 174.62 175.15 1lr2 n ASP 55 N 0.03 -5.03 -4.95 3.99 8.00 -1.26 -1.46 116.55 115.87 1lr2 n ASP 55 Ca -0.11 -1.01 -0.26 0.00 0.71 0.00 0.00 54.79 54.13 1lr2 n ASP 55 Cb 0.57 -3.40 -0.03 0.00 -0.02 0.00 0.00 41.12 38.24 1lr2 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lr2 s TYR 57 N -1.76 0.11 0.04 0.00 1.51 -0.07 -4.98 117.35 112.20 1lr2 s TYR 57 Ca 0.34 0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.63 1lr2 s TYR 57 Cb -0.11 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 1lr2 s TYR 57 CO 0.29 -0.17 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.36 1lr2 s PHE 58 N 1.77 1.20 0.26 2.71 0.08 -1.26 -1.24 117.98 121.49 1lr2 s PHE 58 Ca -0.00 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 1lr2 s PHE 58 Cb -0.12 -0.71 0.05 0.00 -0.57 0.00 0.00 43.02 41.67 1lr2 s PHE 58 CO -0.03 0.03 0.36 -0.40 -0.10 0.00 0.00 175.22 175.08 1lr2 n ASP 59 N 1.85 0.34 0.24 1.36 5.68 -0.05 -4.89 116.55 121.08 1lr2 n ASP 59 Ca -0.18 -1.32 0.08 0.00 -0.50 0.00 0.00 54.79 52.87 1lr2 n ASP 59 Cb 0.55 -0.24 0.64 0.00 -1.14 0.00 0.00 41.12 40.92 1lr2 n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1lr2 h ASP 60 N -0.29 0.02 0.47 -1.12 3.32 -2.02 -1.34 116.42 115.45 1lr2 h ASP 60 Ca -0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1lr2 h ASP 60 Cb 0.40 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1lr2 h ASP 60 CO 0.11 0.01 -0.10 -1.54 -1.72 0.00 0.00 179.24 176.01 1lr2 n SER 61 N -4.53 0.32 0.00 6.45 3.41 -1.26 -4.91 113.62 113.10 1lr2 n SER 61 Ca -0.02 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1lr2 n SER 61 Cb 0.11 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1lr2 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lr2 n GLY 62 N 1.31 0.73 3.42 5.00 0.00 -0.51 -4.97 105.19 110.18 1lr2 n GLY 62 Ca 0.13 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1lr2 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lr2 s SER 63 N -2.71 3.70 0.00 1.61 0.01 -1.26 -1.01 113.70 114.04 1lr2 s SER 63 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1lr2 s SER 63 Cb 0.00 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1lr2 s SER 63 CO 0.00 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1lr2 n GLY 64 N 2.36 -0.65 3.53 3.44 0.00 0.12 -0.87 105.19 113.12 1lr2 n GLY 64 Ca -0.17 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1lr2 n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1lr2 s ILE 65 N -0.75 0.00 0.07 -0.61 2.07 -0.37 -4.30 121.20 117.30 1lr2 s ILE 65 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 1lr2 s ILE 65 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1lr2 s ILE 65 CO 0.00 0.00 -0.17 0.00 -1.91 0.00 0.00 174.94 172.86 1lr2 h LYS 67 N 4.37 0.00 -4.13 0.00 1.57 -1.10 -3.39 116.57 113.88 1lr2 h LYS 67 Ca -0.42 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.07 1lr2 h LYS 67 Cb 1.18 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.22 1lr2 h LYS 67 CO 0.41 0.45 -0.74 0.95 -0.57 0.00 0.00 179.45 179.95 1lr2 s THR 68 N -3.47 0.28 0.00 -0.16 -4.23 -1.21 -4.67 115.64 102.19 1lr2 s THR 68 Ca 0.01 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1lr2 s THR 68 Cb 0.11 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.69 1lr2 s THR 68 CO 0.71 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1lr2 n GLY 69 N 2.86 0.38 3.64 3.99 0.00 -0.07 -2.96 105.19 113.02 1lr2 n GLY 69 Ca -0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.41 1lr2 n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lr2 n ASP 70 N -0.27 2.42 -3.93 1.61 2.03 -1.26 -3.62 116.55 113.53 1lr2 n ASP 70 Ca 0.00 1.12 -0.33 0.00 0.52 0.00 0.00 54.79 56.10 1lr2 n ASP 70 Cb 0.13 -1.34 -0.08 0.00 -0.72 0.00 0.00 41.12 39.11 1lr2 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lr2 n GLY 72 N 1.88 -0.34 2.49 0.00 0.00 -1.26 -2.74 105.19 105.22 1lr2 n GLY 72 Ca 0.23 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1lr2 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr2 n GLY 73 N -1.11 1.23 3.72 -0.02 0.00 -1.26 -4.94 105.19 102.81 1lr2 n GLY 73 Ca -0.18 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1lr2 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lr2 s LEU 74 N -2.66 3.73 0.05 0.99 1.43 -1.11 0.14 118.68 121.26 1lr2 s LEU 74 Ca 0.00 0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.10 1lr2 s LEU 74 Cb 0.00 -1.87 -0.13 0.00 0.03 0.00 0.00 46.19 44.22 1lr2 s LEU 74 CO 0.00 0.38 1.44 0.25 0.23 0.00 0.00 176.35 178.65 1lr2 h LEU 75 N 5.11 0.30 -8.00 1.79 5.85 -1.42 -3.37 115.31 115.58 1lr2 h LEU 75 Ca -0.52 -0.37 -0.71 0.00 0.84 0.00 0.00 57.88 57.12 1lr2 h LEU 75 Cb 1.20 -0.08 -0.20 0.00 0.37 0.00 0.00 40.66 41.95 1lr2 h LEU 75 CO 0.55 0.60 0.47 -0.13 -0.34 0.00 0.00 178.44 179.60 1lr2 s ARG 76 N -4.75 3.45 0.26 1.25 0.52 -1.26 -4.01 118.95 114.41 1lr2 s ARG 76 Ca -0.14 -1.78 -0.31 0.00 -0.52 0.00 0.00 55.73 52.98 1lr2 s ARG 76 Cb 0.06 -4.61 -0.13 0.00 0.52 0.00 0.00 34.95 30.79 1lr2 s ARG 76 CO 0.73 -1.61 1.52 0.00 0.02 0.00 0.00 175.30 175.96 1lr2 n LYS 78 N 2.26 1.63 -4.45 0.00 4.01 -1.26 -4.07 118.16 116.27 1lr2 n LYS 78 Ca 0.11 -0.02 -0.22 0.00 -0.51 0.00 0.00 58.31 57.66 1lr2 n LYS 78 Cb 0.34 -0.97 -0.10 0.00 -0.51 0.00 0.00 35.03 33.79 1lr2 n LYS 78 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1lr2 s ARG 79 N -1.99 1.71 0.76 1.97 1.81 -1.26 -2.24 118.95 119.71 1lr2 s ARG 79 Ca -0.01 -1.98 -0.11 0.00 -1.72 0.00 0.00 55.73 51.91 1lr2 s ARG 79 Cb 0.02 -0.69 0.05 0.00 -0.45 0.00 0.00 34.95 33.88 1lr2 s ARG 79 CO 0.14 -0.30 1.09 -0.06 -0.68 0.00 0.00 175.30 175.48 1lr2 s PHE 80 N -3.33 2.65 0.44 -0.53 0.08 -1.26 -4.85 117.98 111.17 1lr2 s PHE 80 Ca 0.32 1.53 -0.05 0.00 0.12 0.00 0.00 56.93 58.86 1lr2 s PHE 80 Cb 0.06 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 1lr2 s PHE 80 CO 0.15 -1.73 0.74 0.20 -0.10 0.00 0.00 175.22 174.48 1lr2 s GLY 81 N -3.45 1.55 0.02 4.36 0.00 -1.26 -4.60 107.32 103.94 1lr2 s GLY 81 Ca 0.61 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 1lr2 s GLY 81 CO 0.56 -0.38 1.23 -1.60 0.00 0.00 0.00 173.10 172.91 1lr2 s ARG 82 N -4.49 4.39 0.79 2.90 3.52 0.62 -4.86 118.95 121.82 1lr2 s ARG 82 Ca 0.47 1.77 -0.14 0.00 -0.13 0.00 0.00 55.73 57.70 1lr2 s ARG 82 Cb -0.10 -3.44 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1lr2 s ARG 82 CO 0.41 -0.36 1.20 -2.30 -0.81 0.00 0.00 175.30 173.43 1lr2 n PRO 83 N 4.52 0.26 -2.75 5.12 -0.02 -1.26 -0.89 135.00 139.98 1lr2 n PRO 83 Ca 0.10 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1lr2 n PRO 83 Cb 0.46 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 1lr2 n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1lr2 s PRO 84 N -4.02 4.73 -0.12 0.52 0.04 -1.26 -4.67 135.00 130.21 1lr2 s PRO 84 Ca 0.74 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 1lr2 s PRO 84 Cb -0.30 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 30.95 1lr2 s PRO 84 CO 0.50 0.31 0.20 0.95 0.04 0.00 0.00 177.00 178.99 1lr2 s THR 85 N -0.34 -0.31 0.20 1.26 -4.23 -0.51 -3.93 115.64 107.77 1lr2 s THR 85 Ca 0.45 0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.88 1lr2 s THR 85 Cb -0.24 -0.42 -0.09 0.00 1.34 0.00 0.00 72.50 73.09 1lr2 s THR 85 CO 0.30 0.06 1.26 -0.89 -0.54 0.00 0.00 174.62 174.81 1lr2 s THR 86 N 2.33 3.33 -0.12 3.99 2.01 -1.22 -4.34 115.64 121.62 1lr2 s THR 86 Ca 0.03 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.17 1lr2 s THR 86 Cb -0.13 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1lr2 s THR 86 CO -0.08 0.18 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.06 1lr2 s LEU 87 N -0.26 2.24 -0.27 4.42 1.43 -0.71 -4.48 118.68 121.06 1lr2 s LEU 87 Ca 0.55 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1lr2 s LEU 87 Cb -0.35 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1lr2 s LEU 87 CO 0.38 0.14 0.35 0.00 0.23 0.00 0.00 176.35 177.46 1lr2 s ALA 88 N 0.45 3.56 0.04 4.21 0.00 -0.65 -0.66 121.76 128.70 1lr2 s ALA 88 Ca -0.15 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1lr2 s ALA 88 Cb -0.17 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1lr2 s ALA 88 CO 0.06 -0.64 -0.25 -1.21 0.00 0.00 0.00 175.76 173.72 1lr2 s GLU 89 N 2.03 1.75 -0.02 0.00 2.02 -0.05 -1.13 118.70 123.30 1lr2 s GLU 89 Ca 0.14 -1.05 -0.25 0.00 0.02 0.00 0.00 54.97 53.83 1lr2 s GLU 89 Cb -0.16 -1.88 0.06 0.00 0.10 0.00 0.00 34.13 32.25 1lr2 s GLU 89 CO 0.10 0.49 0.56 -0.59 0.02 0.00 0.00 175.26 175.84 1lr2 s PHE 90 N -0.77 -0.50 -0.06 1.61 -0.71 -0.49 -1.65 117.98 115.40 1lr2 s PHE 90 Ca 0.11 0.78 -0.01 0.00 -1.04 0.00 0.00 56.93 56.77 1lr2 s PHE 90 Cb -0.10 0.33 0.03 0.00 -1.21 0.00 0.00 43.02 42.07 1lr2 s PHE 90 CO 0.02 -0.57 0.01 -1.12 -1.34 0.00 0.00 175.22 172.21 1lr2 s SER 91 N -1.42 1.40 0.01 1.98 0.01 -0.59 -0.45 113.70 114.64 1lr2 s SER 91 Ca -0.10 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1lr2 s SER 91 Cb -0.01 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1lr2 s SER 91 CO 0.06 -0.18 0.07 -0.76 0.41 0.00 0.00 173.24 172.84 1lr2 s LEU 92 N 1.85 3.85 -1.21 2.44 1.43 0.75 -1.02 118.68 126.76 1lr2 s LEU 92 Ca 0.03 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1lr2 s LEU 92 Cb -0.12 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1lr2 s LEU 92 CO -0.04 0.26 0.72 0.59 0.23 0.00 0.00 176.35 178.11 1lr2 n ASN 93 N 1.10 -3.78 -4.27 2.29 3.02 -1.02 -3.01 115.26 109.60 1lr2 n ASN 93 Ca -0.12 -0.95 -0.44 0.00 -0.03 0.00 0.00 54.58 53.03 1lr2 n ASN 93 Cb 0.52 -3.61 -0.06 0.00 -0.61 0.00 0.00 39.78 36.03 1lr2 n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1lr2 s GLN 94 N -5.94 2.84 -1.31 3.52 -1.52 0.10 -4.47 119.66 112.88 1lr2 s GLN 94 Ca 0.30 -1.83 -0.00 0.00 -1.95 0.00 0.00 55.36 51.88 1lr2 s GLN 94 Cb -0.10 -4.15 0.00 0.00 -0.22 0.00 0.00 33.01 28.54 1lr2 s GLN 94 CO 0.85 -1.27 0.71 0.66 -0.25 0.00 0.00 175.29 175.99 1lr2 n TYR 95 N 4.94 -1.92 -0.62 0.91 4.01 -1.26 -2.28 117.16 120.93 1lr2 n TYR 95 Ca -0.08 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.50 1lr2 n TYR 95 Cb 0.41 -4.40 0.00 0.00 -0.31 0.00 0.00 39.34 35.03 1lr2 n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lr2 n GLY 96 N -1.57 1.46 3.29 2.72 0.00 -1.26 -5.02 105.19 104.81 1lr2 n GLY 96 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1lr2 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lr2 s LYS 97 N -0.11 1.19 0.07 1.61 -0.14 -0.97 -2.31 119.74 119.08 1lr2 s LYS 97 Ca 0.00 -1.55 0.04 0.00 -1.36 0.00 0.00 55.97 53.10 1lr2 s LYS 97 Cb 0.00 -0.71 -0.04 0.00 -1.68 0.00 0.00 37.83 35.40 1lr2 s LYS 97 CO 0.00 0.04 0.02 -0.51 -0.76 0.00 0.00 175.35 174.14 1lr2 s ASP 98 N -3.24 5.14 -0.07 2.83 1.11 0.03 0.01 116.67 122.49 1lr2 s ASP 98 Ca 0.21 -0.12 0.01 0.00 0.18 0.00 0.00 52.55 52.83 1lr2 s ASP 98 Cb 0.03 -1.28 0.02 0.00 1.07 0.00 0.00 42.92 42.76 1lr2 s ASP 98 CO 0.04 0.19 -0.06 -0.31 1.18 0.00 0.00 175.17 176.21 1lr2 s TYR 99 N -1.29 1.08 0.10 4.23 2.02 -0.19 -0.54 117.35 122.76 1lr2 s TYR 99 Ca 0.26 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1lr2 s TYR 99 Cb -0.12 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1lr2 s TYR 99 CO 0.18 -0.31 -0.13 0.96 -1.57 0.00 0.00 175.55 174.68 1lr2 s ILE 100 N 1.22 1.14 0.18 2.71 -4.36 -0.57 -1.54 121.20 119.97 1lr2 s ILE 100 Ca -0.05 -1.61 -0.24 0.00 -0.26 0.00 0.00 60.65 58.49 1lr2 s ILE 100 Cb -0.14 -1.37 0.05 0.00 1.25 0.00 0.00 42.46 42.25 1lr2 s ILE 100 CO -0.02 -0.43 0.91 1.51 0.24 0.00 0.00 174.94 177.15 1lr2 s ASP 101 N -2.31 -0.20 0.01 4.36 1.47 -0.66 -0.22 116.67 119.12 1lr2 s ASP 101 Ca 0.05 -0.45 0.09 0.00 1.18 0.00 0.00 52.55 53.42 1lr2 s ASP 101 Cb -0.05 0.54 -0.02 0.00 -0.34 0.00 0.00 42.92 43.04 1lr2 s ASP 101 CO 0.02 -1.00 -0.26 -0.63 0.68 0.00 0.00 175.17 173.98 1lr2 s ILE 102 N -3.42 2.13 0.00 2.11 1.01 -1.26 -0.87 121.20 120.91 1lr2 s ILE 102 Ca 0.12 -1.25 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1lr2 s ILE 102 Cb -0.02 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1lr2 s ILE 102 CO 0.03 0.47 -0.12 -0.55 0.00 0.00 0.00 174.94 174.77 1lr2 s SER 103 N -0.95 1.41 -0.04 3.58 0.15 0.16 -1.58 113.70 116.43 1lr2 s SER 103 Ca 0.11 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 56.59 1lr2 s SER 103 Cb -0.10 -0.14 0.28 0.00 -1.71 0.00 0.00 66.02 64.35 1lr2 s SER 103 CO 0.01 0.11 1.22 0.59 1.20 0.00 0.00 173.24 176.37 1lr2 n ASN 104 N 2.57 2.87 0.26 5.45 5.03 0.39 -1.73 115.26 130.10 1lr2 n ASN 104 Ca -0.15 -2.25 0.11 0.00 0.87 0.00 0.00 54.58 53.15 1lr2 n ASN 104 Cb 0.56 -0.25 0.71 0.00 -1.02 0.00 0.00 39.78 39.77 1lr2 n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1lr2 h ILE 105 N 1.42 0.78 -0.55 2.41 2.04 -1.81 -0.95 117.51 120.85 1lr2 h ILE 105 Ca 0.00 -0.33 -0.26 0.00 1.00 0.00 0.00 64.86 65.27 1lr2 h ILE 105 Cb 0.83 1.19 -0.15 0.00 -0.74 0.00 0.00 36.82 37.95 1lr2 h ILE 105 CO 0.04 0.08 0.15 0.29 0.00 0.00 0.00 178.15 178.71 1lr2 n LYS 106 N -4.02 2.18 0.00 2.37 4.76 -1.26 -4.74 118.16 117.44 1lr2 n LYS 106 Ca -0.02 -3.11 0.00 0.00 -2.87 0.00 0.00 58.31 52.31 1lr2 n LYS 106 Cb 0.17 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 1lr2 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lr2 n GLY 107 N -1.01 -2.37 2.85 0.72 0.00 -0.36 -1.42 105.19 103.60 1lr2 n GLY 107 Ca 0.40 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1lr2 n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lr2 s PHE 108 N -0.50 0.23 0.00 1.61 2.19 -0.25 -3.39 117.98 117.86 1lr2 s PHE 108 Ca 0.00 -0.00 0.00 0.00 0.33 0.00 0.00 56.93 57.26 1lr2 s PHE 108 Cb 0.00 -0.26 0.00 0.00 -1.31 0.00 0.00 43.02 41.45 1lr2 s PHE 108 CO 0.00 -0.07 0.00 0.27 1.83 0.00 0.00 175.22 177.25 1lr2 n ASN 109 N 3.63 2.27 -3.99 6.13 2.04 -1.26 -0.93 115.26 123.15 1lr2 n ASN 109 Ca -0.20 0.00 -0.18 0.00 -0.44 0.00 0.00 54.58 53.76 1lr2 n ASN 109 Cb 0.54 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.65 1lr2 n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1lr2 s VAL 110 N -1.79 0.61 0.55 3.53 1.01 -1.26 -4.84 120.40 118.22 1lr2 s VAL 110 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 1lr2 s VAL 110 Cb 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1lr2 s VAL 110 CO 0.00 0.18 1.18 -2.16 0.00 0.00 0.00 175.10 174.30 1lr2 s PRO 111 N -0.09 3.23 -0.04 2.72 0.04 -1.26 -4.65 135.00 134.94 1lr2 s PRO 111 Ca 0.02 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1lr2 s PRO 111 Cb -0.04 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1lr2 s PRO 111 CO -0.00 -0.99 0.39 1.41 0.04 0.00 0.00 177.00 177.86 1lr2 s MET 112 N -3.21 0.71 -0.05 4.56 -2.45 -0.29 -0.89 119.30 117.68 1lr2 s MET 112 Ca 0.74 0.01 0.06 0.00 -1.25 0.00 0.00 55.69 55.24 1lr2 s MET 112 Cb -0.28 0.33 -0.01 0.00 1.25 0.00 0.00 34.83 36.11 1lr2 s MET 112 CO 0.31 -0.19 -0.23 1.21 1.05 0.00 0.00 175.02 177.17 1lr2 s ASN 113 N -1.07 2.84 -0.31 1.11 2.47 -0.13 -1.18 114.94 118.67 1lr2 s ASN 113 Ca -0.11 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 52.71 1lr2 s ASN 113 Cb -0.04 -0.74 0.09 0.00 -1.45 0.00 0.00 41.25 39.11 1lr2 s ASN 113 CO 0.05 0.23 0.05 0.12 -3.72 0.00 0.00 177.10 173.83 1lr2 s PHE 114 N -0.16 2.58 0.11 0.43 5.36 0.09 -0.49 117.98 125.90 1lr2 s PHE 114 Ca -0.02 -2.19 0.05 0.00 -0.96 0.00 0.00 56.93 53.81 1lr2 s PHE 114 Cb -0.13 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 1lr2 s PHE 114 CO 0.03 -0.88 -0.13 -1.12 -1.46 0.00 0.00 175.22 171.66 1lr2 s SER 115 N 1.32 1.85 0.48 6.13 0.01 -0.63 -1.08 113.70 121.78 1lr2 s SER 115 Ca 0.07 -0.78 -0.19 0.00 1.31 0.00 0.00 55.95 56.35 1lr2 s SER 115 Cb -0.18 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 1lr2 s SER 115 CO -0.15 -0.16 1.00 -2.16 0.41 0.00 0.00 173.24 172.18 1lr2 s PRO 116 N -2.56 3.94 0.00 12.44 0.04 -1.26 -0.31 135.00 147.28 1lr2 s PRO 116 Ca 0.07 1.19 0.17 0.00 0.04 0.00 0.00 61.00 62.47 1lr2 s PRO 116 Cb -0.05 -2.13 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1lr2 s PRO 116 CO 0.02 -0.29 1.04 0.25 0.04 0.00 0.00 177.00 178.06 1lr2 n THR 117 N -1.05 0.01 -4.30 1.26 -2.24 0.38 -4.77 114.28 103.57 1lr2 n THR 117 Ca 0.08 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 1lr2 n THR 117 Cb 0.53 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 70.03 1lr2 n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1lr2 s THR 118 N -1.42 2.35 0.74 4.28 -4.23 -1.24 -4.96 115.64 111.16 1lr2 s THR 118 Ca 0.20 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 1lr2 s THR 118 Cb 0.14 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1lr2 s THR 118 CO 0.21 -0.06 1.10 -0.13 -0.54 0.00 0.00 174.62 175.20 1lr2 s ARG 119 N -3.80 2.58 0.00 3.99 0.52 -1.26 -4.62 118.95 116.36 1lr2 s ARG 119 Ca 0.38 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 1lr2 s ARG 119 Cb 0.04 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1lr2 s ARG 119 CO 0.21 -1.24 0.00 0.41 0.02 0.00 0.00 175.30 174.70 1lr2 n GLY 120 N -2.74 0.97 3.75 -3.53 0.00 -1.26 -4.69 105.19 97.70 1lr2 n GLY 120 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1lr2 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lr2 s ARG 122 N -3.37 2.77 0.64 0.00 1.04 -1.26 -4.81 118.95 113.97 1lr2 s ARG 122 Ca 0.12 -1.30 0.00 0.00 -1.04 0.00 0.00 55.73 53.51 1lr2 s ARG 122 Cb -0.02 -2.60 0.09 0.00 -2.04 0.00 0.00 34.95 30.38 1lr2 s ARG 122 CO 0.02 -0.11 0.90 0.20 -0.04 0.00 0.00 175.30 176.26 1lr2 s GLY 123 N -4.18 1.78 0.12 3.88 0.00 -1.26 -4.67 107.32 102.99 1lr2 s GLY 123 Ca 0.48 -1.58 0.08 0.00 0.00 0.00 0.00 44.72 43.71 1lr2 s GLY 123 CO 0.30 -1.13 -0.19 -1.34 0.00 0.00 0.00 173.10 170.74 1lr2 s VAL 124 N -2.97 1.70 -0.07 1.40 -7.23 -0.24 -4.98 120.40 108.01 1lr2 s VAL 124 Ca 0.62 -1.68 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 1lr2 s VAL 124 Cb -0.07 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.26 1lr2 s VAL 124 CO 0.42 -0.18 0.33 -0.60 -0.31 0.00 0.00 175.10 174.76 1lr2 s ARG 125 N -2.27 0.55 -0.32 4.82 3.52 -1.26 -0.73 118.95 123.25 1lr2 s ARG 125 Ca 0.09 0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 1lr2 s ARG 125 Cb -0.08 0.25 0.12 0.00 -1.56 0.00 0.00 34.95 33.69 1lr2 s ARG 125 CO 0.05 -0.12 0.19 0.00 -0.81 0.00 0.00 175.30 174.61 1lr2 n ALA 127 N 4.60 1.95 -1.35 0.00 0.00 -1.26 -1.13 120.51 123.32 1lr2 n ALA 127 Ca 0.04 -1.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.00 1lr2 n ALA 127 Cb 0.40 -0.06 0.10 0.00 0.00 0.00 0.00 19.45 19.89 1lr2 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lr2 s ALA 128 N -1.15 2.11 -1.41 0.00 0.00 -1.26 -4.88 121.76 115.17 1lr2 s ALA 128 Ca 0.04 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1lr2 s ALA 128 Cb 0.04 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.03 1lr2 s ALA 128 CO 0.00 -1.85 2.19 -3.47 0.00 0.00 0.00 175.76 172.64 1lr2 n ASP 129 N -3.55 5.00 -0.03 0.00 2.03 -1.26 -4.72 116.55 114.01 1lr2 n ASP 129 Ca 0.08 -2.93 -0.01 0.00 0.52 0.00 0.00 54.79 52.46 1lr2 n ASP 129 Cb 0.54 -1.57 0.28 0.00 -0.72 0.00 0.00 41.12 39.65 1lr2 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1lr2 h ILE 130 N 3.73 1.20 -0.33 5.18 2.04 -1.97 -1.75 117.51 125.61 1lr2 h ILE 130 Ca 0.55 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1lr2 h ILE 130 Cb 0.58 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1lr2 h ILE 130 CO 1.77 0.27 -0.06 0.58 0.00 0.00 0.00 178.15 180.70 1lr2 h VAL 131 N 0.58 1.28 -0.73 1.67 2.07 -1.89 0.27 116.25 119.50 1lr2 h VAL 131 Ca 0.13 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1lr2 h VAL 131 Cb 0.29 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1lr2 h VAL 131 CO 0.00 0.36 0.26 1.23 0.02 0.00 0.00 177.57 179.44 1lr2 h GLY 132 N 0.41 1.18 0.05 2.17 0.00 -1.89 -2.97 103.07 102.01 1lr2 h GLY 132 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1lr2 h GLY 132 CO 0.03 0.61 -0.15 -1.06 0.00 0.00 0.00 176.54 175.98 1lr2 n GLN 133 N -4.27 1.13 -1.55 4.80 1.13 -0.68 -4.99 117.38 112.94 1lr2 n GLN 133 Ca 0.06 -0.64 -0.52 0.00 -1.94 0.00 0.00 57.00 53.97 1lr2 n GLN 133 Cb 0.20 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.01 1lr2 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lr2 s PRO 135 N -0.10 3.88 0.27 0.00 0.02 -1.26 -4.81 135.00 132.98 1lr2 s PRO 135 Ca 0.79 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 64.22 1lr2 s PRO 135 Cb -0.98 -2.78 0.54 0.00 0.02 0.00 0.00 34.50 31.30 1lr2 s PRO 135 CO 0.52 -0.67 1.63 0.00 -0.33 0.00 0.00 177.00 178.14 1lr2 h ALA 136 N 2.62 0.94 0.00 -1.55 0.00 -1.98 -0.48 119.26 118.81 1lr2 h ALA 136 Ca -0.51 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1lr2 h ALA 136 Cb 1.25 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1lr2 h ALA 136 CO 0.62 -0.45 0.00 0.87 0.00 0.00 0.00 179.25 180.29 1lr2 h LYS 137 N 0.11 0.00 -0.00 0.00 1.57 -2.02 -2.85 116.57 113.38 1lr2 h LYS 137 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1lr2 h LYS 137 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1lr2 h LYS 137 CO -0.71 0.00 -0.88 1.28 -0.57 0.00 0.00 179.45 178.57 1lr2 n LEU 138 N -2.72 0.97 -4.73 2.94 4.77 -0.22 -4.96 117.00 113.05 1lr2 n LEU 138 Ca 0.01 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.15 1lr2 n LEU 138 Cb 0.25 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1lr2 n LEU 138 CO 0.23 0.23 1.34 -0.54 -1.33 0.00 0.00 177.39 177.33 1lr2 s LYS 139 N -2.97 4.13 -0.27 3.23 1.02 -1.04 -0.49 119.74 123.35 1lr2 s LYS 139 Ca 0.09 2.59 -0.19 0.00 0.02 0.00 0.00 55.97 58.48 1lr2 s LYS 139 Cb 0.16 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1lr2 s LYS 139 CO 0.82 -0.72 0.58 0.00 -0.92 0.00 0.00 175.35 175.10 1lr2 s ALA 140 N 0.95 3.59 0.41 5.17 0.00 -0.66 -4.83 121.76 126.39 1lr2 s ALA 140 Ca 0.72 -0.56 0.15 0.00 0.00 0.00 0.00 51.96 52.27 1lr2 s ALA 140 Cb -0.49 -2.98 1.01 0.00 0.00 0.00 0.00 23.12 20.66 1lr2 s ALA 140 CO 0.35 -0.84 1.89 -1.35 0.00 0.00 0.00 175.76 175.82 1lr2 h PRO 141 N 8.02 0.46 0.00 0.00 0.11 -1.92 0.61 132.00 139.27 1lr2 h PRO 141 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1lr2 h PRO 141 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1lr2 h PRO 141 CO 0.75 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 1lr2 n GLY 142 N -1.50 -1.10 0.00 -0.55 0.00 -1.26 -4.98 105.19 95.80 1lr2 n GLY 142 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1lr2 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr2 n GLY 143 N 0.93 3.26 0.45 -0.02 0.00 0.21 -4.64 105.19 105.38 1lr2 n GLY 143 Ca 0.15 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1lr2 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lr2 n GLY 144 N 0.08 -3.28 2.95 -0.02 0.00 -1.26 -4.57 105.19 99.09 1lr2 n GLY 144 Ca 0.00 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 1lr2 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lr2 s ASN 146 N 1.36 5.61 0.63 0.00 0.01 0.36 -1.09 114.94 121.82 1lr2 s ASN 146 Ca -0.05 2.12 -0.11 0.00 -0.71 0.00 0.00 52.86 54.11 1lr2 s ASN 146 Cb -0.19 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.87 1lr2 s ASN 146 CO -0.07 -1.29 1.03 1.51 -1.51 0.00 0.00 177.10 176.77 1lr2 s ASP 147 N -1.98 6.04 0.41 -1.22 -4.77 -1.26 -4.82 116.67 109.07 1lr2 s ASP 147 Ca 0.71 1.31 0.17 0.00 -3.30 0.00 0.00 52.55 51.43 1lr2 s ASP 147 Cb -0.23 -2.32 0.87 0.00 -1.09 0.00 0.00 42.92 40.16 1lr2 s ASP 147 CO 0.30 -0.96 1.87 0.00 0.70 0.00 0.00 175.17 177.08 1lr2 h ALA 148 N -0.36 1.32 0.03 2.11 0.00 -1.92 -2.77 119.26 117.68 1lr2 h ALA 148 Ca -0.44 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1lr2 h ALA 148 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lr2 h ALA 148 CO 0.62 0.39 -0.02 0.00 0.00 0.00 0.00 179.25 180.25 1lr2 h THR 150 N -0.30 0.84 -0.06 0.00 2.02 -1.87 0.98 112.91 114.52 1lr2 h THR 150 Ca -0.00 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1lr2 h THR 150 Cb 0.28 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1lr2 h THR 150 CO 0.01 0.11 -0.24 0.58 0.37 0.00 0.00 175.52 176.34 1lr2 h VAL 151 N 0.58 1.44 0.00 3.16 2.07 -1.32 -3.40 116.25 118.78 1lr2 h VAL 151 Ca 0.34 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1lr2 h VAL 151 Cb 0.36 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1lr2 h VAL 151 CO -0.27 0.47 -1.40 0.49 0.02 0.00 0.00 177.57 176.89 1lr2 n PHE 152 N -4.50 0.00 -3.79 1.57 3.72 0.19 -5.04 117.46 109.61 1lr2 n PHE 152 Ca -0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.08 1lr2 n PHE 152 Cb 0.46 -0.24 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1lr2 n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1lr2 n GLN 153 N -1.82 -4.02 -4.22 -1.08 1.13 0.33 -5.00 117.38 102.70 1lr2 n GLN 153 Ca -0.01 0.53 -0.25 0.00 -1.94 0.00 0.00 57.00 55.34 1lr2 n GLN 153 Cb 0.37 -4.87 -0.07 0.00 0.11 0.00 0.00 30.24 25.78 1lr2 n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lr2 s THR 154 N -3.77 3.77 0.41 5.09 -4.23 -1.26 -5.01 115.64 110.65 1lr2 s THR 154 Ca 0.04 -1.56 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1lr2 s THR 154 Cb -0.01 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.12 1lr2 s THR 154 CO 0.84 -0.23 2.03 0.28 -0.54 0.00 0.00 174.62 177.01 1lr2 h SER 155 N 2.27 0.38 -0.26 3.99 0.02 -1.96 -0.46 113.55 117.54 1lr2 h SER 155 Ca -0.46 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 1lr2 h SER 155 Cb 1.22 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1lr2 h SER 155 CO 0.59 0.33 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.43 1lr2 h GLU 156 N 0.44 0.51 0.01 3.45 4.57 -1.95 0.39 114.58 122.00 1lr2 h GLU 156 Ca 0.11 -0.21 -0.22 0.00 -1.18 0.00 0.00 59.36 57.86 1lr2 h GLU 156 Cb 0.04 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1lr2 h GLU 156 CO -0.02 0.75 -0.94 1.88 -1.18 0.00 0.00 179.01 179.51 1lr2 h TYR 157 N 0.25 0.54 0.00 0.92 0.05 -1.87 -3.26 116.97 113.60 1lr2 h TYR 157 Ca 0.06 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1lr2 h TYR 157 Cb 0.58 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1lr2 h TYR 157 CO 0.06 1.12 -0.39 0.00 -1.05 0.00 0.00 178.16 177.90 1lr2 h THR 160 N -1.29 0.94 -0.04 0.00 1.35 -1.80 -1.07 112.91 111.00 1lr2 h THR 160 Ca -0.50 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1lr2 h THR 160 Cb 1.34 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1lr2 h THR 160 CO 0.56 0.14 0.00 0.35 -0.25 0.00 0.00 175.52 176.32 1lr2 n THR 161 N -4.76 0.05 -0.84 6.82 -2.24 -1.26 -4.85 114.28 107.21 1lr2 n THR 161 Ca 0.11 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1lr2 n THR 161 Cb 0.23 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1lr2 n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lr2 n GLY 162 N 0.85 0.55 2.94 3.38 0.00 -0.41 -4.93 105.19 107.58 1lr2 n GLY 162 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1lr2 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lr2 s LYS 163 N -0.47 1.41 0.09 1.61 1.02 -1.26 -5.06 119.74 117.08 1lr2 s LYS 163 Ca 0.00 -1.86 -0.10 0.00 0.02 0.00 0.00 55.97 54.02 1lr2 s LYS 163 Cb 0.00 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1lr2 s LYS 163 CO 0.00 -0.99 0.24 0.00 -0.92 0.00 0.00 175.35 173.68 1lr2 n GLY 165 N 0.03 3.45 3.76 0.00 0.00 -1.26 -4.86 105.19 106.30 1lr2 n GLY 165 Ca -0.16 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.28 1lr2 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lr2 s PRO 166 N -3.69 2.17 0.27 1.61 0.04 -1.26 -4.98 135.00 129.16 1lr2 s PRO 166 Ca 0.08 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1lr2 s PRO 166 Cb 0.00 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1lr2 s PRO 166 CO 0.06 -1.72 0.10 0.95 0.04 0.00 0.00 177.00 176.43 1lr2 s THR 167 N -2.80 0.56 0.27 1.26 -4.23 -1.26 -4.99 115.64 104.44 1lr2 s THR 167 Ca 0.63 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1lr2 s THR 167 Cb -0.18 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.30 1lr2 s THR 167 CO 0.55 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.44 1lr2 h GLU 168 N 2.34 1.17 -0.24 3.99 4.81 -1.99 0.24 114.58 124.91 1lr2 h GLU 168 Ca -0.38 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 1lr2 h GLU 168 Cb 1.25 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1lr2 h GLU 168 CO 0.60 0.78 -0.22 1.88 -0.73 0.00 0.00 179.01 181.32 1lr2 h TYR 169 N 1.21 0.68 -0.44 0.92 0.05 -2.00 -2.90 116.97 114.48 1lr2 h TYR 169 Ca 0.42 -0.20 -0.06 0.00 0.05 0.00 0.00 58.73 58.94 1lr2 h TYR 169 Cb 0.11 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1lr2 h TYR 169 CO -0.00 0.89 0.03 0.66 -1.05 0.00 0.00 178.16 178.69 1lr2 h SER 170 N 0.27 0.66 0.08 3.88 4.64 -1.71 -2.18 113.55 119.21 1lr2 h SER 170 Ca 0.04 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1lr2 h SER 170 Cb 0.77 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1lr2 h SER 170 CO 0.06 0.72 -0.06 0.03 -0.87 0.00 0.00 176.83 176.70 1lr2 h ARG 171 N 0.67 0.00 0.13 4.77 3.08 -0.91 -0.39 114.38 121.72 1lr2 h ARG 171 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1lr2 h ARG 171 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1lr2 h ARG 171 CO 0.01 0.06 -0.06 0.35 -1.07 0.00 0.00 179.97 179.26 1lr2 h PHE 172 N 0.00 -0.16 -0.73 3.04 3.57 -1.19 0.12 116.94 121.59 1lr2 h PHE 172 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1lr2 h PHE 172 Cb 0.12 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1lr2 h PHE 172 CO 0.00 0.15 0.40 0.74 -2.23 0.00 0.00 178.31 177.37 1lr2 h PHE 173 N -0.48 0.99 -0.29 0.41 0.04 -1.33 -1.98 116.94 114.29 1lr2 h PHE 173 Ca -0.02 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 1lr2 h PHE 173 Cb 0.38 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1lr2 h PHE 173 CO 0.02 0.69 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.86 1lr2 h LYS 174 N 1.02 0.64 -0.21 1.51 1.63 -0.95 0.81 116.57 121.04 1lr2 h LYS 174 Ca 0.26 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1lr2 h LYS 174 Cb 0.02 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1lr2 h LYS 174 CO -0.04 0.89 0.01 -0.09 -3.45 0.00 0.00 179.45 176.77 1lr2 h ARG 175 N 0.54 0.36 -0.31 1.90 2.43 -0.39 -1.71 114.38 117.20 1lr2 h ARG 175 Ca 0.06 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1lr2 h ARG 175 Cb 0.84 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1lr2 h ARG 175 CO 0.07 0.54 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.59 1lr2 h LEU 176 N 0.13 0.81 -6.69 3.80 -0.00 -1.31 -3.39 115.31 108.65 1lr2 h LEU 176 Ca 0.06 -0.37 -0.60 0.00 -0.00 0.00 0.00 57.88 56.97 1lr2 h LEU 176 Cb 0.38 -0.23 -0.39 0.00 -0.00 0.00 0.00 40.66 40.41 1lr2 h LEU 176 CO 0.01 1.11 -0.82 0.00 -0.00 0.00 0.00 178.44 178.74 1lr2 h PRO 178 N 6.01 0.00 -0.75 0.00 0.11 -1.51 -2.84 132.00 133.01 1lr2 h PRO 178 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1lr2 h PRO 178 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1lr2 h PRO 178 CO 0.46 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.00 1lr2 n ASP 179 N -4.38 3.49 -4.17 -2.05 8.00 -1.26 -4.86 116.55 111.31 1lr2 n ASP 179 Ca 0.00 -2.48 -0.17 0.00 0.71 0.00 0.00 54.79 52.85 1lr2 n ASP 179 Cb 0.22 -0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 1lr2 n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lr2 s ALA 180 N -1.93 1.16 0.11 2.24 0.00 -1.07 -4.54 121.76 117.73 1lr2 s ALA 180 Ca 0.29 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1lr2 s ALA 180 Cb 0.22 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 1lr2 s ALA 180 CO 0.09 0.11 1.55 -0.06 0.00 0.00 0.00 175.76 177.45 1lr2 s PHE 181 N -1.60 2.87 -0.18 0.00 0.40 -0.62 -4.82 117.98 114.02 1lr2 s PHE 181 Ca 0.00 0.60 0.20 0.00 -0.60 0.00 0.00 56.93 57.13 1lr2 s PHE 181 Cb -0.08 -3.88 -0.30 0.00 0.51 0.00 0.00 43.02 39.27 1lr2 s PHE 181 CO 0.02 -3.32 0.51 -1.13 0.70 0.00 0.00 175.22 172.00 1lr2 n SER 182 N 4.61 0.46 -3.78 1.36 3.41 -1.26 -0.46 113.62 117.96 1lr2 n SER 182 Ca 0.14 -0.17 -0.08 0.00 -0.26 0.00 0.00 58.87 58.50 1lr2 n SER 182 Cb 0.40 1.77 -0.03 0.00 -0.26 0.00 0.00 64.21 66.09 1lr2 n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1lr2 s TYR 183 N -3.31 -0.18 0.22 7.33 1.13 -1.26 -4.63 117.35 116.65 1lr2 s TYR 183 Ca -0.05 -0.21 -0.09 0.00 -1.41 0.00 0.00 57.07 55.31 1lr2 s TYR 183 Cb 0.13 0.58 0.34 0.00 -1.10 0.00 0.00 41.96 41.91 1lr2 s TYR 183 CO 0.84 -1.10 1.67 0.28 -2.51 0.00 0.00 175.55 174.73 1lr2 h VAL 184 N 2.06 0.51 -0.77 -3.49 2.07 -1.92 -2.37 116.25 112.34 1lr2 h VAL 184 Ca -0.24 -0.06 -0.25 0.00 0.82 0.00 0.00 66.70 66.98 1lr2 h VAL 184 Cb 1.26 0.33 -0.15 0.00 -1.52 0.00 0.00 31.29 31.21 1lr2 h VAL 184 CO 0.29 0.03 0.31 0.18 0.02 0.00 0.00 177.57 178.40 1lr2 n LEU 185 N -5.24 6.16 -4.73 2.57 4.77 -1.26 -4.99 117.00 114.28 1lr2 n LEU 185 Ca 0.10 -3.21 -0.35 0.00 -0.03 0.00 0.00 56.01 52.52 1lr2 n LEU 185 Cb 0.38 -0.76 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1lr2 n LEU 185 CO 0.12 0.82 0.81 -0.62 -1.33 0.00 0.00 177.39 177.19 1lr2 s ASP 186 N -1.00 4.32 -0.00 -1.43 -1.08 -0.89 -4.87 116.67 111.72 1lr2 s ASP 186 Ca 0.55 2.39 -0.30 0.00 -0.52 0.00 0.00 52.55 54.67 1lr2 s ASP 186 Cb 0.44 -2.59 -0.08 0.00 -1.46 0.00 0.00 42.92 39.23 1lr2 s ASP 186 CO 0.13 -2.18 1.94 -0.75 0.52 0.00 0.00 175.17 174.82 1lr2 s LYS 187 N -3.81 4.06 0.12 4.34 2.20 -1.26 -4.86 119.74 120.53 1lr2 s LYS 187 Ca 0.75 2.49 -0.34 0.00 -0.36 0.00 0.00 55.97 58.51 1lr2 s LYS 187 Cb -0.30 -4.15 -0.17 0.00 -1.51 0.00 0.00 37.83 31.69 1lr2 s LYS 187 CO 0.44 -1.04 1.05 -2.30 -0.36 0.00 0.00 175.35 173.14 1lr2 n PRO 188 N 7.58 0.63 -0.86 4.03 -0.02 -1.26 -4.90 135.00 140.21 1lr2 n PRO 188 Ca 0.20 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1lr2 n PRO 188 Cb 0.42 -1.66 0.17 0.00 -0.02 0.00 0.00 33.50 32.41 1lr2 n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1lr2 n THR 189 N 1.35 1.85 -2.74 3.45 -2.24 -1.26 -5.04 114.28 109.65 1lr2 n THR 189 Ca 0.17 -2.93 -0.41 0.00 -2.27 0.00 0.00 64.05 58.61 1lr2 n THR 189 Cb 0.19 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 1lr2 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1lr2 s THR 190 N -2.79 4.45 -0.12 4.28 2.01 -1.26 -4.74 115.64 117.46 1lr2 s THR 190 Ca 0.38 2.07 -0.05 0.00 0.31 0.00 0.00 61.69 64.40 1lr2 s THR 190 Cb 0.37 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1lr2 s THR 190 CO -0.08 0.34 0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 1lr2 s VAL 191 N -0.15 4.76 -0.25 3.82 1.01 0.69 -4.94 120.40 125.36 1lr2 s VAL 191 Ca 0.46 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 1lr2 s VAL 191 Cb -0.24 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1lr2 s VAL 191 CO 0.30 0.57 0.32 -0.89 0.00 0.00 0.00 175.10 175.40 1lr2 s THR 192 N -0.57 5.23 0.33 3.92 2.01 -1.26 -1.52 115.64 123.77 1lr2 s THR 192 Ca 0.11 0.50 0.10 0.00 0.31 0.00 0.00 61.69 62.70 1lr2 s THR 192 Cb -0.12 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 1lr2 s THR 192 CO 0.02 0.22 -0.06 0.00 -0.69 0.00 0.00 174.62 174.11 1lr2 s PRO 194 N -3.64 3.13 0.48 0.00 0.02 -1.26 -0.79 135.00 132.95 1lr2 s PRO 194 Ca 0.33 2.16 -0.24 0.00 0.02 0.00 0.00 61.00 63.27 1lr2 s PRO 194 Cb -0.00 -2.22 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1lr2 s PRO 194 CO 0.18 -1.17 1.31 0.41 -0.33 0.00 0.00 177.00 177.39 1lr2 n GLY 195 N 0.71 0.64 2.69 0.52 0.00 -0.98 -2.67 105.19 106.11 1lr2 n GLY 195 Ca 0.11 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1lr2 n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lr2 n SER 196 N -0.32 -5.14 -4.84 1.61 7.64 -1.26 -4.92 113.62 106.40 1lr2 n SER 196 Ca 0.08 -0.20 -0.30 0.00 1.01 0.00 0.00 58.87 59.46 1lr2 n SER 196 Cb 0.42 -4.01 0.09 0.00 -1.01 0.00 0.00 64.21 59.70 1lr2 n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1lr2 s SER 197 N -2.71 4.52 0.25 6.43 0.01 -1.09 -4.98 113.70 116.13 1lr2 s SER 197 Ca 0.21 1.09 0.11 0.00 1.31 0.00 0.00 55.95 58.67 1lr2 s SER 197 Cb -0.09 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 1lr2 s SER 197 CO 0.26 -1.93 -0.14 0.20 0.41 0.00 0.00 173.24 172.04 1lr2 s ASN 198 N -4.17 3.91 0.26 2.44 0.01 -1.26 -4.63 114.94 111.50 1lr2 s ASN 198 Ca 0.61 -0.85 0.03 0.00 -0.71 0.00 0.00 52.86 51.94 1lr2 s ASN 198 Cb -0.13 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 1lr2 s ASN 198 CO 0.52 0.05 0.20 -0.31 -1.51 0.00 0.00 177.10 176.06 1lr2 s TYR 199 N -2.26 1.46 -0.04 2.20 2.02 -0.36 -0.47 117.35 119.91 1lr2 s TYR 199 Ca 0.29 -1.52 -0.01 0.00 -0.37 0.00 0.00 57.07 55.46 1lr2 s TYR 199 Cb -0.06 -0.64 0.03 0.00 -0.40 0.00 0.00 41.96 40.90 1lr2 s TYR 199 CO 0.16 -0.76 0.07 0.50 -1.57 0.00 0.00 175.55 173.95 1lr2 s ARG 200 N -3.81 -0.01 -0.21 -0.62 3.52 0.58 -1.14 118.95 117.27 1lr2 s ARG 200 Ca 0.40 0.27 -0.04 0.00 -0.13 0.00 0.00 55.73 56.22 1lr2 s ARG 200 Cb 0.05 -0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1lr2 s ARG 200 CO 0.20 -0.19 -0.02 0.08 -0.81 0.00 0.00 175.30 174.55 1lr2 s VAL 201 N 1.25 3.59 -0.19 7.11 1.01 0.37 -1.61 120.40 131.94 1lr2 s VAL 201 Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1lr2 s VAL 201 Cb -0.13 -2.63 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1lr2 s VAL 201 CO -0.04 0.42 -0.11 -0.89 0.00 0.00 0.00 175.10 174.48 1lr2 s THR 202 N 1.32 2.90 0.10 3.92 2.01 0.36 -0.39 115.64 125.87 1lr2 s THR 202 Ca 0.04 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 1lr2 s THR 202 Cb -0.14 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.02 1lr2 s THR 202 CO -0.01 0.48 0.65 -0.36 -0.69 0.00 0.00 174.62 174.69 1lr2 s PHE 203 N 1.17 3.84 -1.20 4.92 0.08 0.18 -0.96 117.98 126.00 1lr2 s PHE 203 Ca 0.02 1.41 -0.05 0.00 0.12 0.00 0.00 56.93 58.42 1lr2 s PHE 203 Cb -0.14 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1lr2 s PHE 203 CO -0.04 0.54 0.82 0.00 -0.10 0.00 0.00 175.22 176.44 1lr2 h PRO 205 N -1.70 0.44 -1.03 0.00 0.13 -1.80 -2.24 132.00 125.81 1lr2 h PRO 205 Ca -0.62 -0.03 -0.24 0.00 -0.87 0.00 0.00 66.00 64.24 1lr2 h PRO 205 Cb 1.34 -0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1lr2 h PRO 205 CO 0.51 0.29 0.31 -2.37 -0.23 0.00 0.00 178.00 176.51 1lr2 n THR 206 N -4.48 2.07 0.57 1.56 5.66 -1.26 -5.10 114.28 113.30 1lr2 n THR 206 Ca 0.06 -0.93 0.07 0.00 -3.05 0.00 0.00 64.05 60.20 1lr2 n THR 206 Cb 0.21 -0.79 0.06 0.00 -1.55 0.00 0.00 70.33 68.26 1lr2 n THR 206 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02